[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C22H24N2O4S/c1-17(25)24-20(14-18-8-4-2-5-9-18)22(27)28-15-21(26)23-12-13-29-16-19-10-6-3-7-11-19/h2-11,14H,12-13,15-16H2,1H3,(H,23,26)(H,24,25)/b20-14-